N-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioyl]hexanamide

Systemtic Name: N-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioyl]hexanamide Openeye Name: N-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]carbamothioyl]hexanamide CAS Name: N-[[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamothioyl]hexanamide Traditional Name: N-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]thiocarbamoyl]hexanamide Formula: C16H21Br2N3O3S MolecularWeight: 495.22924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NNC(=O)COC1=C(C=C(C=C1C)Br)Br

Isomeric SMILES

CCCCCC(=O)NC(=S)NNC(=O)COC1=C(C=C(C=C1C)Br)Br

InChI

InChI=1S/C16H21Br2N3O3S/c1-3-4-5-6-13(22)19-16(25)21-20-14(23)9-24-15-10(2)7-11(17)8-12(15)18/h7-8H,3-6,9H2,1-2H3,(H,20,23)(H2,19,21,22,25)